SCHEMBL7037673

SCHEMBL7037673

O=C(C(CCBr)c1ccccc1)N1CC2CCCCC2C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 7/20 0.45
▸ CHRM3 P20309 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ATM Q13315 1/20 0.39

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
SCHEMBL7451239 0.85 CYP2D6 (0.44) CHRM1ALDH1A1KDM4E
SCHEMBL7041710 0.84 ALDH1A1 (0.57) CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL8781410 0.83 CHRM1 (0.40) CHRM1CHRM3KDM4E
SCHEMBL7456380 0.79 CHRM1 (0.44) CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL20343486 0.76 LMNA (0.44) CHRM1CHRM3
SCHEMBL8582632 0.72 CYP2C19 (0.53) ALDH1A1
SCHEMBL4086184 0.72 CYP2C19 (0.53) ALDH1A1
SCHEMBL7108946 0.71 CHRM1 (0.40) CHRM1ALDH1A1KDM4E
SCHEMBL7453383 0.71 HTR1A (0.78) ALDH1A1KDM4E
SCHEMBL7457776 0.71 CYP2D6 (0.44) CHRM1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037637-B1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY UNIV PRINCETON (US) 2003-03-19 — — EP disclosed
EP-0782574-B1 BICYCLIC CARBOXAMIDES AS 5-HT1A RECEPTORS LIGANDS WYETH JOHN & BROTHER LTD (GB) 2002-03-27 — — EP disclosed
EP-1037637-A1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY PRINCETON UNIVERSITY (US) 2000-09-27 — — EP disclosed
US-5919802-A Methods of preventing and/or treating temporal lobe epilepsy PRINCETON UNIVERSITY (US) 1999-07-06 — — US disclosed
WO-1999029323-A1 USE OF 5HT1A RECEPTOR ANTAGONISTS FOR PREVENTING AND/OR TREATING TEMPORAL LOBE EPILEPSY PRINCETON UNIVERSITY (US) 1999-06-17 — — WO 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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