SCHEMBL9457002

SCHEMBL9457002

CCC(N)(CC(N)Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ ANPEP P15144 1/20 0.47
▸ SLC6A2 P23975 2/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2D6 P10635 1/20 0.43
▸ SCN4A P35499 2/20 0.41
▸ CSNK1E P49674 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
SCHEMBL141471 0.77 KCNN4 (0.50) SLC6A2TAAR1MAPK1CYP2D6
SCHEMBL20992605 0.76 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL13227777 0.76 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL7275224 0.76 TAAR1 (0.54) SLC6A2TAAR1LMNAMAPK1CYP2D6
SCHEMBL15250377 0.76 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL890979 0.75 KCNN4 (0.48) SLC6A2TAAR1MAPK1CYP2D6
Bromide SCHEMBL11663273 0.75 KCNN4 (0.48) SLC6A2TAAR1MAPK1CYP2D6
Hydrochloric Acid SCHEMBL3756447 0.74 TAAR1 (0.52) SLC6A2TAAR1MAOALMNAMAPK1
SCHEMBL895668 0.73 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL43428 0.73 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA

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-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 — — US claimed
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