SCHEMBL10316496

SCHEMBL10316496

C=CCNCCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ MTNR1A P48039 2/20 0.50
▸ NQO2 P16083 2/20 0.50
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL8794788 0.84 HPGD (0.64) HPGDMTNR1ANQO2SMN1; SMN2CYP1A2
SCHEMBL8590547 0.83 MC5R (0.53) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5928598 0.81 MC5R (0.51) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1491284 0.80 MTNR1A (0.45) HPGDMTNR1ANQO2CA12CA1
SCHEMBL15571660 0.78 SIGMAR1 (0.51) HPGDMTNR1ANQO2MEN1KMT2A
SCHEMBL8858591 0.77 NQO2 (0.58) HPGDMTNR1ANQO2CYP1A2CYP2C9
SCHEMBL29891134 0.77 CYP1A2 (0.48) HPGDMTNR1ANQO2MEN1KMT2A
SCHEMBL5516425 0.77 CYP1A2 (0.48) HPGDMTNR1ANQO2MEN1KMT2A
SCHEMBL2572378 0.76 TAAR1 (0.55) HPGDMEN1KMT2ACYP1A2CYP2C9
SCHEMBL13086096 0.76 MTNR1A (0.57) HPGDMTNR1ANQO2ALDH1A1GAA

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
CN-112321451-B Method for preparing cinacalcet hydrochloride drug intermediate 福建海西新药创制有限公司 2022-08-23 — — CN disclosed
EP-2475641-A1 PROCESS FOR PREPARING CINACALCET ZaCh System S.p.A. (IT) 2012-07-18 — — EP disclosed
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