SCHEMBL8648478

SCHEMBL8648478

CCCCc1c(N2CCC(NC(=O)c3cc(F)ccc3F)CC2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCR3 P51677 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGS1 P23219 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
SCHEMBL8651966 0.89 SLC6A12 (0.36) LMNATP53CNR1CHRM2ADRA2A
SCHEMBL8717984 0.87 CCR3 (0.42) CCR3MEN1KMT2ACHRM2ADRA2A
SCHEMBL8654366 0.86 KMT2A (0.40) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL8712539 0.85 CCR3 (0.42) CCR3MEN1KMT2ACHRM2ADRA2A
SCHEMBL8665881 0.83 DRD2 (0.37) KMT2ACHRM1DRD3MTTPPOLB
SCHEMBL8665519 0.83 CCR3 (0.40) CCR3
SCHEMBL8713182 0.83 CKS1B (0.38) ALDH1A1CNR1HTR2ADRD3POLB
SCHEMBL8593680 0.82 POLB (0.42) ALDH1A1LMNATP53KMT2ADRD3
SCHEMBL8480060 0.82 CCR3 (0.40) CCNE1CDK2CCR3MEN1KMT2A
SCHEMBL8666097 0.81 DRD2 (0.36) KMT2ACHRM1DRD3MTTPPOLB

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-5712279-A Inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-27 — — US disclosed
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