SCHEMBL7387239

SCHEMBL7387239

COc1ccc2ccc(N)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.43
NCF1 P14598 3/20 0.43
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
NNMT P40261 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
MPO P05164 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 2/20 0.34
NCK1 P16333 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL31128109 1.00 MCHR1 (0.43) MCHR1NCF1KMT2ACYP1A2NNMT
SCHEMBL12934576 0.87 CYP1A2 (0.50) KMT2ACYP1A2NNMTSIRT2SIRT1
SCHEMBL10752921 0.82 MAP4K4 (0.49) NCF1KMT2ATDP1NPC1RAB9A
SCHEMBL10754223 0.79 MCHR1 (0.49) MCHR1NCF1TDP1MAPK1ALDH1A1
SCHEMBL1765925 0.79 BACE1 (0.48) MCHR1NCF1KMT2ANOS2NOS3
SCHEMBL10753841 0.79 MCHR1 (0.47) MCHR1NCF1NOS2NOS3NOS1
SCHEMBL10758913 0.79 NCF1 (0.45) MCHR1NCF1TDP1NPC1RAB9A
SCHEMBL10755563 0.78 NCF1 (0.42) MCHR1NCF1PIK3CAPIK3CDPIK3CB
SCHEMBL10758544 0.77 ALDH1A1 (0.55) MCHR1NCF1KMT2ANOS1BACE1
Hydrochloric Acid SCHEMBL6756850 0.75 NCF1 (0.52) MCHR1NCF1NNMTSIRT2SIRT1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096887-A USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF MEMORY. NEUROGEN CORPORATION (US) 2000-08-01 US disclosed
US-5723462-A SLEEP AND SEIZURE DISORDERS; COGNITION ACTIVATORS, ANXIOLYTIC AGENTS NEUROGEN CORPORATION (US) 1998-03-03 US disclosed
US-4753941-A HYPNOTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1988-06-28 US disclosed
US-4753933-A ANXIOLYTIS, ANTIEPILEPTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1988-06-28 US disclosed
US-4642308-A ANTICONVULSANTS, ANXIOLYTIC AGENTS, ANTIEPILEPTIC AGENTS, HYPNOTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1987-02-10 US disclosed
US-4327095-A TRANQUICIZERS, ANTICONVULSANTS DECONTRACTURANTS AND HYPNOGENIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US disclosed
US-4124711-A TRANQUILIZERS, ANTICONVULSANTS, DECONTRACTURANTS, HYPNOTIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1978-11-07 US disclosed
US-4038391-A TRANQUILIZERS, ANTICONVULSANTS RHONE-POULENC S.A. (FR) 1977-07-26 US disclosed
US-4021554-A 1,4-Oxathiino[2,3-c]pyrrole derivatives RHONE-POULENC INDUSTRIES (FR) 1977-05-03 US disclosed
US-4016274-A TRANQUILIZERS AND ANTICONVULSANT AGENTS RHONE-POULENC S.A. (FR) 1977-04-05 US disclosed
US-3966931-A TRANQUILIZERS, ANTICONVULSANTS, HYPNOSIS RHONE-POULENC S.A. (FR) 1976-06-29 US disclosed
US-3948917-A TRANQUILIZERS, ANTICONVULSANTS, DECONTRACTURANTS, HYPNOSIS RHONE-POULENC S.A. (FR) 1976-04-06 US disclosed