SCHEMBL10831645

SCHEMBL10831645

CCC(C)Oc1ccc(C(=O)N2CCNC2=Nc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ AVPR2 P30518 1/20 0.31
▸ OXTR P30559 1/20 0.31

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
SCHEMBL10831640 1.00 ALDH1A1 (0.36) ALDH1A1TSHRHPGDLMNADRD2
SCHEMBL10831735 0.91 ALDH1A1 (0.45) ALDH1A1TSHRHPGDLMNAMAPT
SCHEMBL10832341 0.90 DRD2 (0.38) ALDH1A1TSHRHPGDLMNADRD2
SCHEMBL10832346 0.90 DRD2 (0.38) ALDH1A1TSHRHPGDLMNADRD2
SCHEMBL10832129 0.87 NPC1 (0.47) ALDH1A1TSHRHPGDLMNARAB9A
SCHEMBL10832587 0.85 SMN1; SMN2 (0.44) ALDH1A1TSHRHPGDLMNADRD2
SCHEMBL10832149 0.85 ALDH1A1 (0.47) ALDH1A1TSHRHPGDLMNADRD2
SCHEMBL10880573 0.82 POLB (0.40) MAPTKMT2APOLBAVPR2AVPR1A
SCHEMBL10832885 0.82 POLB (0.40) MAPTKMT2APOLBAVPR2AVPR1A
SCHEMBL10831616 0.80 HSD11B1 (0.39) DRD2DRD3HTR1AP2RX7POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
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