SCHEMBL8120002

SCHEMBL8120002

CC(CCn1c(=O)[nH]c2ccccc21)N1CCN(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.61
P2RX7 Q99572 4/20 0.52
ADORA3 P0DMS8 2/20 0.50
CHRM1 P11229 2/20 0.50
SLC6A4 P31645 2/20 0.50
ADRA1A P35348 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL8135911 0.76 HTR7 (1.00) HTR7P2RX7ADORA3CHRM1SLC6A4
SCHEMBL737677 0.75 MEN1 (0.63) HTR7P2RX7ADORA3CHRM1SLC6A4
SCHEMBL8135691 0.74 HTR7 (1.00) HTR7P2RX7ADORA3CHRM1SLC6A4
SCHEMBL6967924 0.74 HTR1A (0.49) HTR7LMNAHTR1A
SCHEMBL10284697 0.70 LMNA (0.64) HTR7P2RX7ADORA3CHRM1SLC6A4
SCHEMBL28851967 0.69 CHRNA7 (0.49) CHRM1OPRM1LMNACHRM2CYP3A4
SCHEMBL11199974 0.68 P2RX7 (1.00) HTR7P2RX7ADORA3CHRM1SLC6A4
SCHEMBL8248960 0.68 LMNA (0.64) HTR7P2RX7MEN1LMNACYP1A2
SCHEMBL29695523 0.68 CYP1A2 (0.74) HTR7P2RX7ADORA3MEN1LMNA
SCHEMBL763168 0.68 CYP1A2 (0.74) HTR7P2RX7ADORA3MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526434-B1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA (IT) 2000-04-19 EP disclosed
US-5576318-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-11-19 US disclosed
WO-1993003016-A1 BENZIMIDAZOLONE DERIVATIVES AS 5-HT1A AND 5-HT2 ANTAGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-02-18 WO disclosed
EP-0526434-A1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-02-03 EP disclosed