SCHEMBL7950010

SCHEMBL7950010

O=C(NCCc1ccccc1)C1=C(O)CCn2c1nc1ccccc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL7961777 0.89 KDM4E (0.65) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7422885 0.85 HPGD (0.64) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7960878 0.81 KDM4E (0.87) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7949782 0.80 POLB (0.73) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7410436 0.80 POLB (0.65) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7958293 0.77 HPGD (0.69) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7964549 0.77 POLB (0.73) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7418947 0.77 POLB (0.62) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL7959850 0.76 POLB (0.85) KDM4ENPC1MAPTRAB9APOLB
SCHEMBL6220085 0.76 HPGD (0.67) KDM4ENPC1MAPTRAB9APOLB

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