SCHEMBL8053802

SCHEMBL8053802

CN(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
NR1I2 O75469 1/20 0.59
LMNA P02545 1/20 0.59
ADRA2A P08913 1/20 0.59
CYP2D6 P10635 1/20 0.59
ACHE P22303 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
TAAR1 Q96RJ0 1/20 0.58
CYP19A1 P11511 2/20 0.56
PYCR1 P32322 1/20 0.56
PTGES O14684 1/20 0.53
ALOX5 P09917 1/20 0.53
HRH3 Q9Y5N1 2/20 0.49
TMEM97 Q5BJF2 1/20 0.48
HDAC1 Q13547 1/20 0.46
CXCR3 P49682 1/20 0.45
ACKR3 P25106 1/20 0.44

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
SCHEMBL8056771 0.89 SIGMAR1 (0.56) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL12902355 0.87 TAAR1 (0.75) LMNATAAR1PYCR1HRH3HDAC1
SCHEMBL8041553 0.84 TACR1 (0.63) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL15125623 0.81 HRH3 (0.71) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL128222 0.80 KIF11 (0.59) LMNACYP19A1RAB9AKIF11
SCHEMBL3421942 0.80 KIF11 (0.59) LMNACYP19A1RAB9AKIF11
SCHEMBL12201774 0.79 SIGMAR1 (0.56) SIGMAR1NR1I2LMNAADRA2ACYP2D6
Ethane SCHEMBL27903947 0.78 KIF11 (0.57) LMNACYP19A1RAB9AKIF11
SCHEMBL16699619 0.77 CNR2 (0.53) SIGMAR1NR1I2LMNAADRA2ACYP2D6
SCHEMBL12891088 0.77 KCNH2 (0.53) SIGMAR1NR1I2LMNAADRA2ACYP2D6

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
US-6015925-A TREATING MYCOSIS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-01-18 US claimed
US-6015925-A TREATING MYCOSIS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-01-18 US disclosed