SCHEMBL7964345

SCHEMBL7964345

O=C(Nc1c(F)cc(F)cc1F)C1=C(O)CCn2c1nc1ccccc12

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
HPGD P15428 1/20 0.66
KMT2A Q03164 1/20 0.66
KDM4E B2RXH2 1/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 1/20 0.64
RAB9A P51151 1/20 0.64

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
SCHEMBL7958286 0.93 POLB (0.60) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7412619 0.91 POLB (0.68) POLBHPGDKMT2A
SCHEMBL7958267 0.89
SCHEMBL7964410 0.88 POLB (0.69) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7418612 0.88 ESR1 (0.63) MAPT
SCHEMBL7418108 0.87
SCHEMBL7964539 0.85
SCHEMBL7961849 0.85 POLB (0.82) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7957481 0.85
SCHEMBL7964294 0.84

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