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SCHEMBL19904651

SCHEMBL19904651

CC(C)Oc1ccc(CC(CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.43
▸ P2RX3 P56373 7/20 0.43
▸ S1PR1 P21453 6/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CCR5 P51681 1/20 0.38

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
SCHEMBL19904415 1.00 CCR1 (0.43) CCR1P2RX3S1PR1NOTUMMEN1
SCHEMBL19904540 0.90 CCR1 (0.41) CCR1NOTUMMEN1ALDH1A1KMT2A
SCHEMBL19904566 0.89 NOTUM (0.39) CCR1NOTUMMEN1ALDH1A1KMT2A
SCHEMBL19904428 0.89 UGCG (0.43) CCR1P2RX3NOTUMHTR1A
SCHEMBL19904316 0.89 UGCG (0.43) CCR1P2RX3NOTUMHTR1A
SCHEMBL19904504 0.89 UGCG (0.41) CCR1P2RX3NOTUMHTR1A
SCHEMBL19904478 0.89 UGCG (0.43) CCR1NOTUMHTR1A
SCHEMBL19904697 0.89 UGCG (0.41) CCR1P2RX3NOTUMHTR1A
SCHEMBL19904680 0.88 UGCG (0.42) CCR1P2RX3NOTUMHTR1A
SCHEMBL19904554 0.87 UTS2R (0.40) CCR1P2RX3NOTUMHTR1A

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-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 — — EP disclosed