SCHEMBL7950067

SCHEMBL7950067

O=C(Nc1ccc(F)cc1F)C1=C(O)CCc2c1nc1cc(F)ccn21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MLLT1 Q03111 1/20 0.39
TSHR P16473 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL7961404 0.91 EPHB3 (0.39)
SCHEMBL7418615 0.90 KCNK3 (0.45) POLBTAS1R3TAS1R1TAS1R2THRB
SCHEMBL7958270 0.88 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL7964433 0.88 CYP11B1 (0.34)
SCHEMBL7964298 0.85 IGF1R (0.37)
SCHEMBL7949787 0.83 HTT (0.36) NPC1RAB9AHSD17B10HTTSMN1; SMN2
SCHEMBL7949862 0.82 TYK2 (0.34) SMN1; SMN2
SCHEMBL7964544 0.82 KMT2A (0.42) POLBKDM4E
SCHEMBL7418401 0.81 TP53 (0.39) SMN1; SMN2
SCHEMBL7418114 0.80 SMN1; SMN2 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed