SCHEMBL14624958

SCHEMBL14624958

Cc1ccc(C(=O)NC2CCN(C(=O)C3CCN(Cc4ccncc4)CC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SIGMAR1 Q99720 3/20 0.52
▸ TMEM97 Q5BJF2 2/20 0.52
▸ SLC6A12 P48065 1/20 0.52
▸ MCHR1 Q99705 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL13003507 0.93 SIGMAR1 (0.57) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL8223184 0.89 PRKAA2 (0.54) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL13003508 0.88 PRKAA2 (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL13003522 0.87 PRKAB2 (0.53) SMN1; SMN2CYP3A4
SCHEMBL13391678 0.86 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL8232629 0.80 SIGMAR1 (0.53) MEN1KMT2ASIGMAR1CYP3A4CYP2D6
SCHEMBL13003502 0.80 CXCR4 (0.73) DRD4SIGMAR1SLC6A12
SCHEMBL8274001 0.80 MEN1 (0.78) DRD4LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13003264 0.80 SIGMAR1 (0.52) SIGMAR1CYP3A4CYP2D6
SCHEMBL13003512 0.80 CCR3 (0.62) DRD4KMT2ASIGMAR1SLC6A12MCHR1

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
WO-2007001975-A1 PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — WO disclosed
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