SCHEMBL11048801

SCHEMBL11048801

NCC1=CCN(Cc2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ MC4R P32245 1/20 0.36
▸ OPRL1 P41146 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ PRMT6 Q96LA8 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34

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
Formamide SCHEMBL28854308 0.93 SIGMAR1 (0.36) SIGMAR1LOXL2MC4ROPRL1HTR2A
SCHEMBL8804597 0.79 SIGMAR1 (0.39) SIGMAR1LOXL2MC4RCYP2A6HTR2A
SCHEMBL25379874 0.76 LMNA (0.41) SIGMAR1MC4RSMN1; SMN2LMNAPOLB
Bromide SCHEMBL29099282 0.75 SIGMAR1 (0.38) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL28790693 0.74 ALDH1A1 (0.41) SIGMAR1MC4RSMN1; SMN2DRD4LMNA
Bromide SCHEMBL28711468 0.73 SIGMAR1 (0.37) SIGMAR1MC4RDRD4LMNAGSK3A
SCHEMBL5969762 0.73 ADRA1D (0.38) —
SCHEMBL9817613 0.72 CYP2D6 (0.38) SIGMAR1LOXL2TAAR1DRD4
SCHEMBL10619250 0.72 SIGMAR1 (0.36) SIGMAR1MC4RGSK3AGSK3BMGLL
SCHEMBL5174444 0.72 SIGMAR1 (0.36) SIGMAR1MC4RDRD4LMNAPOLB

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-4442286-A Preparation of amines by the reduction of imines with phosphorous acid PETROLITE CORPORATION (US) 1984-04-10 — — US disclosed
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