SCHEMBL7456380

SCHEMBL7456380

O=C(C(CCBr)c1ccccc1)N1C2CCCC1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 6/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ AGTR2 P50052 3/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM5 P08912 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ KCNQ2 O43526 1/20 0.38

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
SCHEMBL7458164 0.86 CHRM1 (0.44) CHRM1MEN1KMT2AAGTR2CHRM2
SCHEMBL8783358 0.82 CHRM1 (0.43) CHRM1MEN1KMT2AAGTR2CHRM2
SCHEMBL8783362 0.82 CHRM1 (0.43) CHRM1MEN1KMT2AAGTR2CHRM2
SCHEMBL8784000 0.81 CYP2C19 (0.56) CHRM1MEN1KMT2AAGTR2CHRM2
SCHEMBL8783996 0.81 CYP2C19 (0.56) CHRM1MEN1KMT2AAGTR2CHRM2
SCHEMBL7037673 0.79 CHRM1 (0.45) CHRM1CHRM3KDM4EALDH1A1
SCHEMBL7451239 0.78 CYP2D6 (0.44) CHRM1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8781410 0.76 CHRM1 (0.40) CHRM1MEN1KMT2ACHRM2CHRM5
SCHEMBL7453757 0.73 HTR1A (0.58) KDM4EPOLBALDH1A1
SCHEMBL4086184 0.71 CYP2C19 (0.53) LMNAPOLBALDH1A1

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-0782574-B1 BICYCLIC CARBOXAMIDES AS 5-HT1A RECEPTORS LIGANDS WYETH JOHN & BROTHER LTD (GB) 2002-03-27 — — EP disclosed
EP-0782574-A1 BICYCLIC CARBOXAMIDES AS 5-HT 1A? ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-07-09 — — EP disclosed
US-5610154-A ANXIOLYTIC AGENTS JOHN WYETH & BROTHER, LTD. (GB) 1997-03-11 — — US disclosed
WO-1996009302-A1 BICYCLIC CARBOXAMIDES AS 5-HT1A ANTAGONISTS JOHN WYETH & BROTHER LTD. (GB) 1996-03-28 — — WO disclosed
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