SCHEMBL14624960

SCHEMBL14624960

C=C(C1CCN(Cc2ccncc2)CC1)N1CCC(C(=O)NCc2ccc3ccccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ERCC1 P07992 1/20 0.49
▸ ERCC4 Q92889 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ CAPN1 P07384 1/20 0.46
▸ CCR3 P51677 1/20 0.46

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
SCHEMBL13003526 0.91 ALDH1A1 (0.53) ACKR3LMNAALDH1A1
SCHEMBL14624959 0.88 NPSR1 (0.58) ACKR3ALDH1A1SIGMAR1
SCHEMBL23839974 0.80 CAPN1 (0.63) ACKR3SIGMAR1CAPN1CCR3
SCHEMBL13003528 0.78 MEN1 (0.61) ACKR3
SCHEMBL8228052 0.77 MEN1 (0.57) ALDH1A1
SCHEMBL14456741 0.77 MEN1 (0.57) ALDH1A1
SCHEMBL14624962 0.73 CYP2D6 (0.47) ACKR3
SCHEMBL13003552 0.72 KDM4E (0.55) ALDH1A1
SCHEMBL8083501 0.72 ERCC1 (0.65) ALDH1A1ERCC1ERCC4
SCHEMBL26082620 0.71 LMNA (0.47) ACKR3LMNAALDH1A1

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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