SCHEMBL10397222

SCHEMBL10397222

c1ccc2c3c([nH]c2c1)CN(CN1CCCCC1)CC3

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.61
▸ HTR1A P08908 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ATM Q13315 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ RCE1 Q9Y256 1/20 0.56
▸ DRD2 P14416 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55

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
SCHEMBL17517486 0.93 SIGMAR1 (0.68) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL17792374 0.88 SIGMAR1 (0.60) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL16335361 0.85 SIGMAR1 (0.75) SIGMAR1HTR1AGRIN2B
SCHEMBL22528263 0.85 SIGMAR1 (0.79) SIGMAR1HTR1AGRIN2B
SCHEMBL28435581 0.84 PRMT5 (0.58) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL16335245 0.84 SIGMAR1 (0.73) SIGMAR1HTR1AGRIN2B
SCHEMBL6369610 0.81 HTR1A (0.71) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL1415530 0.79 HTR1A (0.81) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL967323 0.78 ALDH1A1 (0.71) SIGMAR1HTR1AKDM4EMEN1KMT2A
SCHEMBL14656766 0.78 SIGMAR1 (0.61) SIGMAR1HTR1AKDM4EMEN1KMT2A

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
US-4977159-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1990-12-11 — — US disclosed
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