SCHEMBL8664872

SCHEMBL8664872

CCCCc1c(N2CCC(NC(=O)Oc3ccccc3)C2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMPD2 O60906 1/20 0.37
▸ SMPD3 Q9NY59 3/20 0.37
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL8713182 0.96 CKS1B (0.38) CKS1BSKP1SKP2POLBELANE
SCHEMBL8665881 0.89 DRD2 (0.37) SMPD3POLB
SCHEMBL8665519 0.88 CCR3 (0.40) KDM5A
SCHEMBL8666097 0.87 DRD2 (0.36) SMPD3POLBMTNR1AMTNR1B
SCHEMBL8665528 0.86 CCR3 (0.40) KDM5A
SCHEMBL8665587 0.85 AKT1 (0.36) SMPD3POLB
SCHEMBL8717984 0.84 CCR3 (0.42) POLBKDM5A
SCHEMBL8501237 0.83 MTTP (0.36) POLB
SCHEMBL8593680 0.82 POLB (0.42) POLBALDH1A1
SCHEMBL8712539 0.82 CCR3 (0.42) POLBKDM5A

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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