SCHEMBL23940690

SCHEMBL23940690

Cc1ccc2c(c1)CCC(CCNCCCSCc1cc(F)ccc1Cl)C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
OPRL1 P41146 6/20 0.34
TP53 P04637 1/20 0.31
SGPL1 O95470 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL24317058 0.73 HTR1D (0.42) HTR1DHTR1BMCHR1
SCHEMBL24317011 0.69 DRD2 (0.46) HTR1DHTR1BMCHR1
SCHEMBL20006795 0.65 HTR1D (0.38) HTR1DHTR1BSGPL1MCHR1
SCHEMBL20006880 0.64 HTR1D (0.45) HTR1DHTR1BOPRL1MCHR1
SCHEMBL20007096 0.64 DRD2 (0.46) HTR1DHTR1B
SCHEMBL26543317 0.62 SGPL1 (0.38) HTR1DHTR1BSGPL1MCHR1
SCHEMBL19186568 0.61 MCHR1 (0.41) HTR1DHTR1BTP53MCHR1
SCHEMBL18137140 0.60 HTR1D (0.48) HTR1DHTR1BOPRL1MCHR1
SCHEMBL6160107 0.60 HTR1D (0.55) HTR1DHTR1BSGPL1MCHR1
SCHEMBL6160101 0.60 HTR1D (0.55) HTR1DHTR1BSGPL1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed