SCHEMBL7410436

SCHEMBL7410436

O=C(NC1CC1)C1=C(O)CCn2c1nc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 1/20 0.65
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
SCHEMBL7420926 0.95 POLB (0.63) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7418947 0.94 POLB (0.62) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7949782 0.84 POLB (0.73) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7960878 0.82 KDM4E (0.87) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7958293 0.81 HPGD (0.69) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7964315 0.80 POLB (0.71) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7959850 0.80 POLB (0.85) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL6220085 0.80 HPGD (0.67) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7950010 0.80 KDM4E (0.62) POLBHPGDKMT2AKDM4ENPC1
SCHEMBL7422885 0.80 HPGD (0.64) POLBHPGDKMT2AKDM4ENPC1

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 5 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
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO 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
WO-1994004532-A1 3-OXO-PYRIDO(1,2-A^_)BENZIMIDAZOLE-4-CARBOXYL AND 4-OXO-AZEPINO(1,2-A^_)BENZIMIDAZOLE-5-CARBOXYL DERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS MCNEILAB, INC. (US) 1994-03-03 WO disclosed