SCHEMBL8094101

SCHEMBL8094101

O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
ACKR3 P25106 7/20 0.61
ROCK2 O75116 1/20 0.60
ROCK1 Q13464 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
KMT2A Q03164 1/20 0.58
UBE2M P61081 1/20 0.58
DCUN1D1 Q96GG9 1/20 0.58
CCR3 P51677 1/20 0.58
FAAH O00519 1/20 0.58

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
SCHEMBL14242761 0.81 HDAC1 (0.53) SIGMAR1KMT2A
SCHEMBL17270257 0.81 ACKR3 (0.78) ACKR3
SCHEMBL4172844 0.81 LTA4H (0.65) ROCK2ROCK1KMT2ACCR3
SCHEMBL3926664 0.80 GRK2 (0.64) KMT2AUBE2MDCUN1D1
SCHEMBL17270122 0.80 ACKR3 (0.80) ACKR3
SCHEMBL22470297 0.79 MEN1 (0.62) KMT2A
SCHEMBL1554194 0.79 TDP1 (0.61) ROCK2ROCK1SIGMAR1CCR3
SCHEMBL28212054 0.79 SIGMAR1 (0.62) POLBROCK2ROCK1SIGMAR1KMT2A
SCHEMBL11560101 0.77 GAA (0.62) KMT2A
SCHEMBL6154047 0.77 LTA4H (0.67) ROCK2ROCK1CCR3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO 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