SCHEMBL7469490

SCHEMBL7469490

[CH2]CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.74
RAB9A P51151 1/20 0.74
GRM7 Q14831 1/20 0.74
CYP3A4 P08684 3/20 0.71
ALOX15 P16050 2/20 0.71
TSHR P16473 1/20 0.71
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
DUT P33316 2/20 0.41
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8095249 0.85 MTOR (1.00) MTORRAB9AGRM7CYP3A4ALOX15
Hydrochloric Acid SCHEMBL3012657 0.83 CYP3A4 (1.00) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL22321648 0.81 MTOR (0.65) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10411095 0.81 MTOR (0.81) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL9035365 0.78 CYP3A4 (0.66) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL10938947 0.78 CYP3A4 (0.66) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL27991429 0.78 MTOR (0.45) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11100772 0.77 MTOR (0.74) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL2586127 0.77 RAB9A (0.74) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL8352681 0.77 MTOR (0.74) MTORRAB9AGRM7CYP3A4ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703221-B1 5 alpha-reductase Inhibitors LILLY CO ELI (US) 2002-03-27 EP disclosed
US-6150375-A INHIBITORS OF BOTH OF THE HUMAN 5AR ISOZYMES; BENIGN PROSTATE HYPERPLASIA, MALE PATTERN BALDNESS, ACNE VULGARIS, SEBORRHEA, ANDROGENIC ALOPECIA, HIRSUTISM AND PROSTATE CANCER; BLOCKS THE CONVERSION OF TESTOSTERONE TO 5-ALPHA-DIHYDROTESTOSTERONE ELI LILLY AND COMPANY (US) 2000-11-21 US disclosed
CN-1163565-A 5 alpha-reductase inhibitors LILLY CO ELI (US) 1997-10-29 CN disclosed
US-5670514-A BENZOQUINOLIN-3-ONE ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5635197-A BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5629007-A USING BENZOQUINOLIN-3-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
CN-1138458-A Treatment and prevention of prostatic cancer LILLY CO ELI (US) 1996-12-25 CN disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed