SCHEMBL7337109

SCHEMBL7337109

CCCN1CCCC(NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)C(N)CC(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.49
KDM2B Q8NHM5 1/20 0.46
KDM4E B2RXH2 1/20 0.45
IL1RN P18510 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
CACNA1B Q00975 2/20 0.45
UTS2R Q9UKP6 5/20 0.44
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7342587 0.93 YAP1 (0.51) YAP1KDM4EIL1RNERAP2ERAP1
SCHEMBL7338585 0.88 UTS2R (0.57) UTS2RCHRM2CHRM1CHRM3LMNA
SCHEMBL7345278 0.88 UTS2R (0.57) UTS2RCHRM2CHRM1CHRM3LMNA
SCHEMBL7367718 0.87 KDM2B (0.52) YAP1KDM2BKDM4ELTA4HEPHX2
SCHEMBL7342359 0.87 YAP1 (0.55) YAP1KDM4EIL1RNERAP2ERAP1
SCHEMBL7366593 0.87 UTS2R (0.46) YAP1KDM2BCACNA1BUTS2RCHRM2
SCHEMBL7337924 0.85 YAP1 (0.56) YAP1IL1RNERAP2ERAP1MME
SCHEMBL7337102 0.84 YAP1 (0.47) YAP1KDM2BKDM4EUTS2RMME
SCHEMBL7346412 0.83 CACNA1B (0.59) YAP1KDM4ECACNA1BUTS2R
SCHEMBL7338808 0.81 YAP1 (0.45) YAP1IL1RNERAP2ERAP1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed