SCHEMBL8870545

SCHEMBL8870545

COC(=O)Cc1cccc(NC(=O)NCC(=O)N2C(c3ccccc3)CCC2c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PRMT3 O60678 2/20 0.41
▸ CCR3 P51677 3/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL8870550 1.00 CCKBR (0.44) CCKBRCA12CA1CA2CA9
SCHEMBL8870823 0.92 PPIB (0.42) CCKBRCA12CA1CA2CA9
SCHEMBL8870825 0.92 PPIB (0.42) CCKBRCA12CA1CA2CA9
SCHEMBL8870831 0.92 PPIB (0.42) CCKBRCA12CA1CA2CA9
SCHEMBL8870350 0.90 HPSE (0.47) CCKBRPRMT3MMEACEUSP30
SCHEMBL8870354 0.90 HPSE (0.47) CCKBRPRMT3MMEACEUSP30
SCHEMBL8869881 0.85 PPIB (0.42) CCKBRCCR3HTR2AKMT2A
SCHEMBL8870087 0.84 MME (0.47) CCKBRPRMT3MMEACE
SCHEMBL8870920 0.84 ALDH1A1 (0.44) PRMT3MMEACEKMT2A
SCHEMBL8870918 0.84 ALDH1A1 (0.44) PRMT3MMEACEKMT2A

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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