SCHEMBL6933017

SCHEMBL6933017

C=C(Cc1cccc(C)c1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ADRB1 P08588 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR6 P50406 1/20 0.40
CTBP2 P56545 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 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
SCHEMBL6934617 0.82 SLC6A4 (0.49) ADRB1MEN1KMT2AHTTCHRM3
SCHEMBL6932177 0.80 SIGMAR1 (0.52) POLBADRB1MEN1KMT2AALDH1A1
SCHEMBL6931860 0.79 BRS3 (0.48) MEN1KMT2AALDH1A1RECQLCHRM3
SCHEMBL27918650 0.75 SIGMAR1 (0.46) POLBMEN1KMT2AHRH3ALDH1A1
SCHEMBL29313543 0.74 CHRM3 (0.56) POLBMEN1KMT2AALDH1A1CHRM3
SCHEMBL14238826 0.74 POLB (0.88) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL29756483 0.74 SIGMAR1 (0.62) POLBADRB1MEN1KMT2AHRH3
SCHEMBL593734 0.74 SIGMAR1 (0.62) POLBADRB1MEN1KMT2AHRH3
SCHEMBL6931864 0.74 HTT (0.54) MEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL2923966 0.73 SIGMAR1 (0.61) POLBADRB1MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366030-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS Neurogen Corporation (US) 2003-12-03 EP claimed
WO-2002004433-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-17 WO claimed