SCHEMBL7959638

SCHEMBL7959638

Cc1cccn2c3c(nc12)C(C(=O)Nc1ccccc1F)=C(O)CC3

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7960459 0.86 GAA (0.43) NPC1SMN1; SMN2LMNA
SCHEMBL7964545 0.82 TYK2 (0.43) LMNA
SCHEMBL7959624 0.81 NPC1 (0.48) TDP1NPC1SMN1; SMN2LMNA
SCHEMBL7961404 0.80 EPHB3 (0.39)
SCHEMBL7418401 0.79 TP53 (0.39) SMN1; SMN2
SCHEMBL7418615 0.76 KCNK3 (0.45) LMNA
SCHEMBL7964544 0.76 KMT2A (0.42) LMNA
SCHEMBL7964531 0.75 CSNK1D (0.40)
SCHEMBL7413083 0.74 HDAC1 (0.42)
SCHEMBL7412623 0.74 IGF1R (0.45)

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