SCHEMBL7964531

SCHEMBL7964531

O=C(Nc1ccncc1F)C1=C(O)CCc2c1nc1ccccn21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
POLB P06746 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
SCHEMBL7957484 0.89 POLB (0.45) POLB
SCHEMBL7420377 0.88 EPHB3 (0.44)
SCHEMBL7964433 0.87 CYP11B1 (0.34)
SCHEMBL7961766 0.86 KMT2A (0.41) CSNK1DCSNK1E
SCHEMBL7418615 0.85 KCNK3 (0.45) POLB
SCHEMBL7958240 0.83 IKBKE (0.41)
SCHEMBL7964125 0.83 NTRK1 (0.43) POLB
SCHEMBL7964544 0.83 KMT2A (0.42) POLB
SCHEMBL7949796 0.83 RAB9A (0.44)
SCHEMBL7413083 0.83 HDAC1 (0.42) POLB

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