SCHEMBL8665881

SCHEMBL8665881

CCCCc1c(N2CCC(NC(=O)c3ccccc3)C2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.37
▸ DRD4 P21917 4/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MTTP P55157 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ SMPD3 Q9NY59 1/20 0.34

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
SCHEMBL8666097 0.98 DRD2 (0.36) DRD2DRD4AKT1CHRM1CARM1
SCHEMBL8501237 0.94 MTTP (0.36) DRD2DRD4CHRM1KMT2APOLB
SCHEMBL8501050 0.92 MTTP (0.36) DRD2DRD4CHRM1KMT2APOLB
SCHEMBL8669688 0.91 DRD2 (0.39) DRD2DRD4AKT1CHRM1CARM1
SCHEMBL8664872 0.89 SMPD2 (0.37) POLBSMPD3
SCHEMBL8665519 0.89 CCR3 (0.40) DRD2
SCHEMBL8714745 0.88 CHRM1 (0.41) DRD2DRD4CHRM1CARM1PRMT6
SCHEMBL8665528 0.87 CCR3 (0.40) DRD2
SCHEMBL8665587 0.87 AKT1 (0.36) DRD2DRD4AKT1POLBDRD3
SCHEMBL8665214 0.86 MCHR1 (0.37) DRD2DRD4AKT1CHRM1MCHR1

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
US-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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